Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50291974'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50291974 (CHEMBL359088 | N-{(S)-1-Cyclohexyl-2-[4-(3-hydroxy...) Show SMILES CC1CN(C[C@@H](NC(=O)CCc2ccc(O)cc2)C2CCCCC2)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C30H42N2O3/c1-22-20-32(18-17-30(22,2)25-9-6-10-27(34)19-25)21-28(24-7-4-3-5-8-24)31-29(35)16-13-23-11-14-26(33)15-12-23/h6,9-12,14-15,19,22,24,28,33-34H,3-5,7-8,13,16-18,20-21H2,1-2H3,(H,31,35)/t22?,28-,30?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity determined on Opioid receptor kappa 1 in Guinea pig brain membranes using radioligand [3H]U-69593				J Med Chem 41: 5188-97 (1999) Article DOI: 10.1021/jm980511k BindingDB Entry DOI: 10.7270/Q2P26ZT4
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